COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK857183
Chemical Name: (2Z)-2-(3,4-dimethoxybenzylidene)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CC(C)CC(C1)C)[O-]

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Molecular Weight: 423.51
Empirical Formula: C25H29NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.317
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 72
Number of rings: 4

     

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